7-methyl-4-[7-methyl-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one

C29H28N4O3 — CID 71705009

IUPAC7-methyl-4-[7-methyl-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one
SMILESCc1ccc2c(-c3cc4c(CN5CCN(Cc6cccnc6)CC5)cnc(C)c4o3)cc(=O)oc2c1
InChIInChI=1S/C29H28N4O3/c1-19-5-6-23-25(14-28(34)35-26(23)12-19)27-13-24-22(16-31-20(2)29(24)36-27)18-33-10-8-32(9-11-33)17-21-4-3-7-30-15-21/h3-7,12-16H,8-11,17-18H2,1-2H3
InChIKeyXGKIEWYKZKQGLK-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.93
Rot. Bonds5

About 7-methyl-4-[7-methyl-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one

7-methyl-4-[7-methyl-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one (PubChem CID 71705009) has the molecular formula C29H28N4O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is 7-methyl-4-[7-methyl-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one.

Molecular Properties

Compound Name7-methyl-4-[7-methyl-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one
PubChem CID71705009
Molecular FormulaC29H28N4O3
Molecular Weight480.57 g/mol
Exact Mass480.22
IUPAC Name7-methyl-4-[7-methyl-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one
SMILESCc1ccc2c(-c3cc4c(CN5CCN(Cc6cccnc6)CC5)cnc(C)c4o3)cc(=O)oc2c1
InChIInChI=1S/C29H28N4O3/c1-19-5-6-23-25(14-28(34)35-26(23)12-19)27-13-24-22(16-31-20(2)29(24)36-27)18-33-10-8-32(9-11-33)17-21-4-3-7-30-15-21/h3-7,12-16H,8-11,17-18H2,1-2H3
InChIKeyXGKIEWYKZKQGLK-UHFFFAOYSA-N
XLogP4.93
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-methyl-4-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]chromen-2-one
CID 71703081
4-[4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one
CID 97266324
4-[4-(azepan-1-ylmethyl)-7-methylfuro[2,3-c]pyridin-2-yl]-6,7-dimethylchromen-2-one
CID 71709741
6,7-dimethyl-4-[7-methyl-4-(morpholin-4-ylmethyl)furo[2,3-c]pyridin-2-yl]chromen-2-one
CID 71705186
7,8-dimethyl-4-[7-methyl-4-[(pyridin-3-ylmethylamino)methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one;dihydrochloride
CID 71829113
7-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]chromen-2-one
CID 18167928
7-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]chromen-2-one
CID 23606550
4-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
CID 71825554
4-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one;hydrochloride
CID 71825553
4-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-7-methylchromen-2-one
CID 30668836
7-methyl-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]chromen-2-one
CID 18086300
7-chloro-6-[(4-phenylpiperazin-1-yl)methyl]-4-pyridin-3-ylchromen-2-one
CID 141046520

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[7-methyl-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one?
The IUPAC name of 7-methyl-4-[7-methyl-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one (CID 71705009) is 7-methyl-4-[7-methyl-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one.
What is the SMILES notation for 7-methyl-4-[7-methyl-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one?
The canonical SMILES for 7-methyl-4-[7-methyl-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one is Cc1ccc2c(-c3cc4c(CN5CCN(Cc6cccnc6)CC5)cnc(C)c4o3)cc(=O)oc2c1.
What is the InChIKey of 7-methyl-4-[7-methyl-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one?
The InChIKey is XGKIEWYKZKQGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O3/c1-19-5-6-23-25(14-28(34)35-26(23)12-19)27-13-24-22(16-31-20(2)29(24)36-27)18-33-10-8-32(9-11-33)17-21-4-3-7-30-15-21/h3-7,12-16H,8-11,17-18H2,1-2H3.
What are the key properties of 7-methyl-4-[7-methyl-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one?
7-methyl-4-[7-methyl-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one has a molecular weight of 480.57 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[7-methyl-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one is sourced from PubChem (CID 71705009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).